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120195-00-8 | Benzothiazole, 6-isothiocyanato-5-methoxy- (9CI)
CAS No: 120195-00-8 Catalog No: AG009KMK MDL No:
Product Description
Catalog Number:
AG009KMK
Chemical Name:
Benzothiazole, 6-isothiocyanato-5-methoxy- (9CI)
CAS Number:
120195-00-8
IUPAC Name:
6-isothiocyanato-5-methoxy-1,3-benzothiazole
InChI:
InChI=1S/C9H6N2OS2/c1-12-8-2-7-9(14-5-11-7)3-6(8)10-4-13/h2-3,5H,1H3
InChI Key:
DMWJVEDGGQGGDR-UHFFFAOYSA-N
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.992g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.28g/mol
Monoisotopic Mass:
221.992g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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